2-[(Z)-1-amino-2-[2-amino-5-(1-piperidin-4-ylpiperidin-4-yl)-1H-indol-3-yl]ethenyl]phenol

C26H33N5O — CID 166458442

IUPAC2-[(Z)-1-amino-2-[2-amino-5-(1-piperidin-4-ylpiperidin-4-yl)-1H-indol-3-yl]ethenyl]phenol
SMILESN/C(=C\c1c(N)[nH]c2ccc(C3CCN(C4CCNCC4)CC3)cc12)c1ccccc1O
InChIInChI=1S/C26H33N5O/c27-23(20-3-1-2-4-25(20)32)16-22-21-15-18(5-6-24(21)30-26(22)28)17-9-13-31(14-10-17)19-7-11-29-12-8-19/h1-6,15-17,19,29-30,32H,7-14,27-28H2/b23-16-
InChIKeyOOCVYTKHUXSGJK-KQWNVCNZSA-N
MW431.58 g/mol
LogP3.84
Rot. Bonds4

About 2-[(Z)-1-amino-2-[2-amino-5-(1-piperidin-4-ylpiperidin-4-yl)-1H-indol-3-yl]ethenyl]phenol

2-[(Z)-1-amino-2-[2-amino-5-(1-piperidin-4-ylpiperidin-4-yl)-1H-indol-3-yl]ethenyl]phenol (PubChem CID 166458442) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is 2-[(Z)-1-amino-2-[2-amino-5-(1-piperidin-4-ylpiperidin-4-yl)-1H-indol-3-yl]ethenyl]phenol.

Molecular Properties

Compound Name2-[(Z)-1-amino-2-[2-amino-5-(1-piperidin-4-ylpiperidin-4-yl)-1H-indol-3-yl]ethenyl]phenol
PubChem CID166458442
Molecular FormulaC26H33N5O
Molecular Weight431.58 g/mol
Exact Mass431.27
IUPAC Name2-[(Z)-1-amino-2-[2-amino-5-(1-piperidin-4-ylpiperidin-4-yl)-1H-indol-3-yl]ethenyl]phenol
SMILESN/C(=C\c1c(N)[nH]c2ccc(C3CCN(C4CCNCC4)CC3)cc12)c1ccccc1O
InChIInChI=1S/C26H33N5O/c27-23(20-3-1-2-4-25(20)32)16-22-21-15-18(5-6-24(21)30-26(22)28)17-9-13-31(14-10-17)19-7-11-29-12-8-19/h1-6,15-17,19,29-30,32H,7-14,27-28H2/b23-16-
InChIKeyOOCVYTKHUXSGJK-KQWNVCNZSA-N
XLogP3.84
TPSA103.33 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 53.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(Z)-1-amino-2-[2-amino-5-(5-piperidin-4-ylpyrimidin-2-yl)spiro[6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-4,1'-cyclopropane]-3-yl]ethenyl]phenol
CID 170612936
2-[(Z)-1-amino-2-[(4R)-2-amino-4-methyl-5-(5-piperidin-4-ylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol;ethane
CID 170613684
2-[(Z)-1-amino-2-(2-amino-4-methyl-5-pyrrolidin-3-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenol
CID 166459136
2-[(Z)-1-amino-2-[2-amino-5-[1-[1-(2-azaspiro[3.3]heptan-6-yl)piperidin-4-yl]piperidin-4-yl]-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol
CID 166459652
2-(3,4-dimethoxyphenyl)-5-(1-piperidin-4-ylpiperidin-4-yl)-3-propan-2-yl-1H-indole
CID 134230324
4-(3-bromophenyl)-1-piperidin-4-ylpiperidine
CID 84605686
1-[3-[5-amino-4-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-3-chloro-1H-pyrrol-2-yl]pyrrolidin-1-yl]prop-2-en-1-one;methanol
CID 177022895
2-[3-[[4-[4-[2-[2-amino-3-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl]pyrimidin-5-yl]piperidin-1-yl]cyclohexyl]methoxy]-1,2-oxazol-5-yl]-3-methylbutanal;methanol
CID 166459112
2-[(Z)-1-amino-2-[2-amino-4-methyl-5-(1-methylpyrrolidin-3-yl)-1H-pyrrol-3-yl]ethenyl]phenol;ethane;prop-2-enal
CID 177023703
2-[(Z)-1-amino-2-[2-amino-4-(hydroxymethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol
CID 170613236
1-[3-[5-amino-4-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-3-bromo-1H-pyrrol-2-yl]pyrrolidin-1-yl]prop-2-en-1-one;methanol
CID 177023263
tert-butyl 4-[[4-[4-[2-amino-3-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl]piperidin-1-yl]cyclohexyl]methyl]piperazine-1-carboxylate
CID 166459657

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-amino-2-[2-amino-5-(1-piperidin-4-ylpiperidin-4-yl)-1H-indol-3-yl]ethenyl]phenol?
The IUPAC name of 2-[(Z)-1-amino-2-[2-amino-5-(1-piperidin-4-ylpiperidin-4-yl)-1H-indol-3-yl]ethenyl]phenol (CID 166458442) is 2-[(Z)-1-amino-2-[2-amino-5-(1-piperidin-4-ylpiperidin-4-yl)-1H-indol-3-yl]ethenyl]phenol.
What is the SMILES notation for 2-[(Z)-1-amino-2-[2-amino-5-(1-piperidin-4-ylpiperidin-4-yl)-1H-indol-3-yl]ethenyl]phenol?
The canonical SMILES for 2-[(Z)-1-amino-2-[2-amino-5-(1-piperidin-4-ylpiperidin-4-yl)-1H-indol-3-yl]ethenyl]phenol is N/C(=C\c1c(N)[nH]c2ccc(C3CCN(C4CCNCC4)CC3)cc12)c1ccccc1O.
What is the InChIKey of 2-[(Z)-1-amino-2-[2-amino-5-(1-piperidin-4-ylpiperidin-4-yl)-1H-indol-3-yl]ethenyl]phenol?
The InChIKey is OOCVYTKHUXSGJK-KQWNVCNZSA-N. The full InChI is InChI=1S/C26H33N5O/c27-23(20-3-1-2-4-25(20)32)16-22-21-15-18(5-6-24(21)30-26(22)28)17-9-13-31(14-10-17)19-7-11-29-12-8-19/h1-6,15-17,19,29-30,32H,7-14,27-28H2/b23-16-.
What are the key properties of 2-[(Z)-1-amino-2-[2-amino-5-(1-piperidin-4-ylpiperidin-4-yl)-1H-indol-3-yl]ethenyl]phenol?
2-[(Z)-1-amino-2-[2-amino-5-(1-piperidin-4-ylpiperidin-4-yl)-1H-indol-3-yl]ethenyl]phenol has a molecular weight of 431.58 g/mol, XLogP of 3.84, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-amino-2-[2-amino-5-(1-piperidin-4-ylpiperidin-4-yl)-1H-indol-3-yl]ethenyl]phenol is sourced from PubChem (CID 166458442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).